⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2615604 | 0.89 | TRPV1 (0.32) | — | |
| SCHEMBL2615620 | 0.86 | MCOLN2 (0.34) | — | |
| SCHEMBL2133027 | 0.83 | F10 (0.33) | — | |
| SCHEMBL2615622 | 0.82 | SLC40A1 (0.39) | — | |
| SCHEMBL2135562 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL2134874 | 0.74 | HTT (0.37) | — | |
| SCHEMBL2135133 | 0.72 | METAP2 (0.42) | — | |
| SCHEMBL2133143 | 0.72 | MRGPRX1 (0.39) | — | |
| SCHEMBL2135831 | 0.71 | TRPV1 (0.38) | — | |
| SCHEMBL2135919 | 0.71 | PARP14 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8546427-B2 | Tetrahydroquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120101127-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | HUA MEDICINE (KY) | 2012-04-26 | — | — | US | disclosed |